DOTA-Arg-Pro-Lys-Pro-Gln-Gln-Phe-2Thi-Gly-Leu-Met(O2)-NH2 Actinium AC-225 (CHEM135471)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 22:00:52 UTC | ||||||||
| Update Date | 2026-05-14 20:07:24 UTC | ||||||||
| Accession Number | CHEM135471 | ||||||||
| Identification | |||||||||
| Common Name | DOTA-Arg-Pro-Lys-Pro-Gln-Gln-Phe-2Thi-Gly-Leu-Met(O2)-NH2 Actinium AC-225 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C77H119AcN22O22S2 | ||||||||
| Average Molecular Mass | 1994.070 g/mol | ||||||||
| Monoisotopic Mass | 1992.854 g/mol | ||||||||
| CAS Registry Number | 2230254-48-3 | ||||||||
| IUPAC Name | (225Ac)actinium(3+) 2-[4-({[(2S)-1-[(2S)-2-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-methanesulfonylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [225Ac+3].CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=CS1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O | ||||||||
| InChI Identifier | InChI=1S/C77H122N22O22S2.Ac/c1-47(2)39-55(71(114)88-50(67(81)110)24-38-123(3,120)121)87-62(102)42-85-68(111)57(41-49-15-12-37-122-49)93-72(115)56(40-48-13-5-4-6-14-48)92-70(113)51(20-22-60(79)100)89-69(112)52(21-23-61(80)101)90-73(116)58-18-10-28-99(58)76(119)54(16-7-8-25-78)91-74(117)59-19-11-27-98(59)75(118)53(17-9-26-84-77(82)83)86-63(103)43-94-29-31-95(44-64(104)105)33-35-97(46-66(108)109)36-34-96(32-30-94)45-65(106)107;/h4-6,12-15,37,47,50-59H,7-11,16-36,38-46,78H2,1-3H3,(H2,79,100)(H2,80,101)(H2,81,110)(H,85,111)(H,86,103)(H,87,102)(H,88,114)(H,89,112)(H,90,116)(H,91,117)(H,92,113)(H,93,115)(H,104,105)(H,106,107)(H,108,109)(H4,82,83,84);/q;+3/p-3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-;/m0./s1/i;1-2 | ||||||||
| InChI Key | FMQURNZNWLIWQS-BCAUDCSCSA-K | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
